Geometry & MOs

Info

ID:	420791
PubChem CID:	135114815
Reduced:	SN2F3O4C15H19 (1)
Stoich.:	AB2C3D4E15F19 (1)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	-307.03
Dipole, Da:	7.74
IP(EA), eV:	-10.01(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations